1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one

C15H18N4O — CID 44825909

IUPAC1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1Cc2ccccc2-n2nncc2C1
InChIInChI=1S/C15H18N4O/c1-15(2,3)14(20)18-9-11-6-4-5-7-13(11)19-12(10-18)8-16-17-19/h4-8H,9-10H2,1-3H3
InChIKeyOFIXTHDLYVKBFY-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.16
Rot. Bonds

About 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one

1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 44825909) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one
PubChem CID44825909
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1Cc2ccccc2-n2nncc2C1
InChIInChI=1S/C15H18N4O/c1-15(2,3)14(20)18-9-11-6-4-5-7-13(11)19-12(10-18)8-16-17-19/h4-8H,9-10H2,1-3H3
InChIKeyOFIXTHDLYVKBFY-UHFFFAOYSA-N
XLogP2.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one (CID 44825909) is 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1Cc2ccccc2-n2nncc2C1.
What is the InChIKey of 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is OFIXTHDLYVKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(2,3)14(20)18-9-11-6-4-5-7-13(11)19-12(10-18)8-16-17-19/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one?
1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 270.34 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 44825909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).